None of the MM force field can reproduce pi-pi interactions
for the simple reason that the force field does not
describe electrons explicitly !! That is the case for
most of the interactions involving electrons !!
What about XED forcefield??
An Evaluation of Force-Field Treatments of Aromatic Interactions
Chemistry - A European Journal
Volume 8, Issue 13 , Pages 2860 - 2867
Gianni Chessari, Dr. 1, Christopher A. Hunter, Prof. 1 *, Caroline M. R. Low, Dr. 2, Martin J.
Packer, Dr. 1, Jeremy G. Vinter, Dr. 2, Cristiano Zonta
Regards
andrea
--
-------------------------------
Andrea Spitaleri
Dulbecco Telethon Institute
c/o DIBIT Scientific Institute
Biomolecular NMR, 1B4
Via Olgettina 58
20132 Milano (Italy)
http://biomolecularnmr.ihsr.dom/
-------------------------------
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